| SpectraBase Spectrum ID |
JqiLaAYVZYx |
| Name |
1,4-Naphthalenedione, 3-acetyl-2-hydroxy-5,7-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.063388100 u |
| Formula |
C14H12O6 |
| InChI |
InChI=1S/C14H12O6/c1-6(15)10-13(17)11-8(12(16)14(10)18)4-7(19-2)5-9(11)20-3/h4-5,18H,1-3H3 |
| InChIKey |
SQVQWVOQAJIUFG-UHFFFAOYSA-N |
| Molecular Weight |
276.244 g/mol |
| SMILES |
C1(=C(C(=O)C2=C(C1=O)C(=CC(OC)=C2)OC)O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879984 |
